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(S)-1-(1-Methylpiperidine-3-yl)-3-[4-(trifluoromethyl)phenyl]thiourea
SpectraBase Compound ID Jgahp2zeUrK
InChI InChI=1S/C14H18F3N3S/c1-20-8-2-3-12(9-20)19-13(21)18-11-6-4-10(5-7-11)14(15,16)17/h4-7,12H,2-3,8-9H2,1H3,(H2,18,19,21)/t12-/m0/s1
InChIKey DMNGRUXJQZUDSL-LBPRGKRZSA-N
Mol Weight 317.37 g/mol
Molecular Formula C14H18F3N3S
Exact Mass 317.117353 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CZCuYQc8y5J
Name (S)-1-(1-Methylpiperidine-3-yl)-3-[4-(trifluoromethyl)phenyl]thiourea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18F3N3S
InChI InChI=1S/C14H18F3N3S/c1-20-8-2-3-12(9-20)19-13(21)18-11-6-4-10(5-7-11)14(15,16)17/h4-7,12H,2-3,8-9H2,1H3,(H2,18,19,21)/t12-/m0/s1
InChIKey DMNGRUXJQZUDSL-LBPRGKRZSA-N
Literature Reference DOI 10.1021/ol302005f
Molecular Weight 317.374 g/mol
SMILES N(c1ccc(cc1)C(F)(F)F)C(N[C@@]1(CN(CCC1)C)[H])=S
SPLASH splash10-0002-9000000000-45b3c230ecc6634b6e67
Source of Spectrum A1-14-4518/SMS9-4i
Synonyms (S)-1-(1-methylpiperidin-3-yl)-3-(4-(trifluoromethyl)phenyl)thiourea
Wiley ID 1750572